Crystallography Open Database

Information card for entry 4345617

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Coordinates	4345617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H62 B N3 Si
Calculated formula	C58 H62 B N3 Si
Title of publication	Diverse Bonding Activations in the Reactivity of a Pentaphenylborole toward Sodium Phosphaethynolate: Heterocycle Synthesis and Mechanistic Studies.
Authors of publication	Li, Yan; Siwatch, Rahul Kumar; Mondal, Totan; Li, Yongxin; Ganguly, Rakesh; Koley, Debasis; So, Cheuk-Wai
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	7
Pages of publication	4112 - 4120
a	10.8795 ± 0.0004 Å
b	13.8762 ± 0.0006 Å
c	17.5684 ± 0.0007 Å
α	108.268 ± 0.003°
β	90.442 ± 0.003°
γ	107.481 ± 0.003°
Cell volume	2387 ± 0.18 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1877
Residual factor for significantly intense reflections	0.0894
Weighted residual factors for significantly intense reflections	0.1971
Weighted residual factors for all reflections included in the refinement	0.2498
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
194727 (current)	2017-04-04	cif/ Adding structures of 4345615, 4345616, 4345617, 4345618 via cif-deposit CGI script.	4345617.cif